def lattice_to_dict(lattice: SrRealParSet, angunits="rad") -> dict: """Convert lattice parameter set to dictionary. If angle is in radian, convert it to degree.""" dct = dict(zip(lattice.getNames(), lattice.getValues())) if angunits == "rad": for angle in ('alpha', 'beta', 'gamma'): dct[angle] = math.degrees(dct[angle]) return dct
def atom_to_dict(atom: SrRealParSet) -> dict: """Convert atom parameter set to dictionary.""" dct = dict(zip(atom.getNames(), atom.getValues())) dct.update({'name': atom.name, 'element': atom.element}) return dct